Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'stolfa' and Initial = 'da'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50178769 ((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...) Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50056297 (CHEMBL3317923) Show SMILES COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cc1F)-c1cccnc1 Show InChI InChI=1S/C21H19FN2O4/c1-26-18-11-20(28-3)19(27-2)10-15(18)21(25)24-17-7-6-13(9-16(17)22)14-5-4-8-23-12-14/h4-12H,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50336799 (5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...) Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50056308 (CHEMBL3317932) Show SMILES COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cc1F)-c1ccncc1 Show InChI InChI=1S/C21H19FN2O4/c1-26-18-12-20(28-3)19(27-2)11-15(18)21(25)24-17-5-4-14(10-16(17)22)13-6-8-23-9-7-13/h4-12H,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50056295 (CHEMBL3317921) Show SMILES COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cn1)-c1cccnc1 Show InChI InChI=1S/C20H19N3O4/c1-25-16-10-18(27-3)17(26-2)9-15(16)20(24)23-19-7-6-14(12-22-19)13-5-4-8-21-11-13/h4-12H,1-3H3,(H,22,23,24)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50056298 (CHEMBL3317924) Show SMILES COc1ccc(C(=O)Nc2ccc(cc2F)-c2cccnc2)c(OC)c1OC Show InChI InChI=1S/C21H19FN2O4/c1-26-18-9-7-15(19(27-2)20(18)28-3)21(25)24-17-8-6-13(11-16(17)22)14-5-4-10-23-12-14/h4-12H,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50400734 (CHEMBL1591531) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |w:18.19,t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50056293 (CHEMBL3317919) Show SMILES COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cn1)-c1cc(F)cc(F)c1 Show InChI InChI=1S/C21H18F2N2O4/c1-27-17-10-19(29-3)18(28-2)9-16(17)21(26)25-20-5-4-12(11-24-20)13-6-14(22)8-15(23)7-13/h4-11H,1-3H3,(H,24,25,26)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50373763 (CHEMBL270292) Show SMILES Brc1ccc2c3C(CC(=O)Oc3ccc2c1)c1ccccc1 |w:6.18| Show InChI InChI=1S/C19H13BrO2/c20-14-7-8-15-13(10-14)6-9-17-19(15)16(11-18(21)22-17)12-4-2-1-3-5-12/h1-10,16H,11H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50374731 (CHEMBL260599) Show SMILES COc1cc2CCN(CC\C=C3/CCCc4c(OC)cccc34)Cc2cc1OC Show InChI InChI=1S/C25H31NO3/c1-27-23-11-5-9-21-18(7-4-10-22(21)23)8-6-13-26-14-12-19-15-24(28-2)25(29-3)16-20(19)17-26/h5,8-9,11,15-16H,4,6-7,10,12-14,17H2,1-3H3/b18-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50336799 (5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...) Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM27507 (3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...) Show SMILES NC(=O)c1cccnc1 Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50056309 (CHEMBL3317933) Show SMILES COc1ccc(cc1)-c1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)c(F)c1 Show InChI InChI=1S/C23H22FNO5/c1-27-16-8-5-14(6-9-16)15-7-10-19(18(24)11-15)25-23(26)17-12-21(29-3)22(30-4)13-20(17)28-2/h5-13H,1-4H3,(H,25,26)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50056292 (CHEMBL3317918) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cn1)-c1cc(F)cc(F)c1 Show InChI InChI=1S/C21H18F2N2O4/c1-27-17-8-14(9-18(28-2)20(17)29-3)21(26)25-19-5-4-12(11-24-19)13-6-15(22)10-16(23)7-13/h4-11H,1-3H3,(H,24,25,26)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50056307 (CHEMBL3317931) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)-c1ccncc1 Show InChI InChI=1S/C21H19FN2O4/c1-26-18-11-15(12-19(27-2)20(18)28-3)21(25)24-17-5-4-14(10-16(17)22)13-6-8-23-9-7-13/h4-12H,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50400733 (CHEMBL2203548) Show SMILES Clc1cccc(-c2ccc(\C=C3/C(=O)NC(=S)N(CC=C)C3=O)o2)c1Cl Show InChI InChI=1S/C18H12Cl2N2O3S/c1-2-8-22-17(24)12(16(23)21-18(22)26)9-10-6-7-14(25-10)11-4-3-5-13(19)15(11)20/h2-7,9H,1,8H2,(H,21,23,26)/b12-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of SIRT5 using ZK(suc)A substrate after 1 hr by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50056311 (CHEMBL3317935) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1N)-c1cc(F)cc(F)c1 Show InChI InChI=1S/C22H20F2N2O4/c1-28-19-9-14(10-20(29-2)21(19)30-3)22(27)26-18-5-4-12(8-17(18)25)13-6-15(23)11-16(24)7-13/h4-11H,25H2,1-3H3,(H,26,27)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50056300 (CHEMBL3317925) Show SMILES COc1cc(OC)c(C(=O)Nc2ccc(cc2F)-c2cccnc2)c(OC)c1 Show InChI InChI=1S/C21H19FN2O4/c1-26-15-10-18(27-2)20(19(11-15)28-3)21(25)24-17-7-6-13(9-16(17)22)14-5-4-8-23-12-14/h4-12H,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50056307 (CHEMBL3317931) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)-c1ccncc1 Show InChI InChI=1S/C21H19FN2O4/c1-26-18-11-15(12-19(27-2)20(18)28-3)21(25)24-17-5-4-14(10-16(17)22)13-6-8-23-9-7-13/h4-12H,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50056303 (CHEMBL3317927) Show SMILES COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1F)-c1cccnc1 Show InChI InChI=1S/C20H17FN2O3/c1-25-16-8-15(9-17(11-16)26-2)20(24)23-19-6-5-13(10-18(19)21)14-4-3-7-22-12-14/h3-12H,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50056297 (CHEMBL3317923) Show SMILES COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cc1F)-c1cccnc1 Show InChI InChI=1S/C21H19FN2O4/c1-26-18-11-20(28-3)19(27-2)10-15(18)21(25)24-17-7-6-13(9-16(17)22)14-5-4-8-23-12-14/h4-12H,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400731 (CHEMBL2203547) Show SMILES Clc1cccc(-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)o2)c1Cl Show InChI InChI=1S/C15H8Cl2N2O3S/c16-10-3-1-2-8(12(10)17)11-5-4-7(22-11)6-9-13(20)18-15(23)19-14(9)21/h1-6H,(H2,18,19,20,21,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50400732 (CHEMBL2203543) Show SMILES Brc1ccc(-[#6]-[#8]-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C18H13BrN2O3S/c19-13-5-1-12(2-6-13)10-24-14-7-3-11(4-8-14)9-15-16(22)20-18(25)21-17(15)23/h1-9H,10H2,(H2,20,21,22,23,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400734 (CHEMBL1591531) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |w:18.19,t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM81939 (CAS_52-53-9 | NSC_62969 | VERAPAMIL) Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50400731 (CHEMBL2203547) Show SMILES Clc1cccc(-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)o2)c1Cl Show InChI InChI=1S/C15H8Cl2N2O3S/c16-10-3-1-2-8(12(10)17)11-5-4-7(22-11)6-9-13(20)18-15(23)19-14(9)21/h1-6H,(H2,18,19,20,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of SIRT5 using ZK(suc)A substrate after 1 hr by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50400734 (CHEMBL1591531) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |w:18.19,t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT3 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50056296 (CHEMBL3317922) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)-c1cccnc1 Show InChI InChI=1S/C21H19FN2O4/c1-26-18-10-15(11-19(27-2)20(18)28-3)21(25)24-17-7-6-13(9-16(17)22)14-5-4-8-23-12-14/h4-12H,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50056296 (CHEMBL3317922) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)-c1cccnc1 Show InChI InChI=1S/C21H19FN2O4/c1-26-18-10-15(11-19(27-2)20(18)28-3)21(25)24-17-7-6-13(9-16(17)22)14-5-4-8-23-12-14/h4-12H,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50056304 (CHEMBL3317928) Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1F)-c1cccnc1 Show InChI InChI=1S/C19H15FN2O2/c1-24-16-7-4-13(5-8-16)19(23)22-18-9-6-14(11-17(18)20)15-3-2-10-21-12-15/h2-12H,1H3,(H,22,23)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400733 (CHEMBL2203548) Show SMILES Clc1cccc(-c2ccc(\C=C3/C(=O)NC(=S)N(CC=C)C3=O)o2)c1Cl Show InChI InChI=1S/C18H12Cl2N2O3S/c1-2-8-22-17(24)12(16(23)21-18(22)26)9-10-6-7-14(25-10)11-4-3-5-13(19)15(11)20/h2-7,9H,1,8H2,(H,21,23,26)/b12-9+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50056292 (CHEMBL3317918) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cn1)-c1cc(F)cc(F)c1 Show InChI InChI=1S/C21H18F2N2O4/c1-27-17-8-14(9-18(28-2)20(17)29-3)21(26)25-19-5-4-12(11-24-19)13-6-15(22)10-16(23)7-13/h4-11H,1-3H3,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400724 (CHEMBL1714005) Show SMILES O=C1NC(=S)NC(=O)C1=Cc1c[nH]c2ccccc12 |(.91,-.4,;.44,-1.87,;-1.07,-2.19,;-1.55,-3.65,;-3.05,-3.97,;-.51,-4.8,;.99,-4.48,;2.02,-5.62,;1.47,-3.01,;2.97,-2.69,;3.45,-1.23,;2.54,.02,;3.45,1.26,;4.91,.79,;6.25,1.56,;7.58,.79,;7.58,-.75,;6.25,-1.52,;4.91,-.75,)| Show InChI InChI=1S/C13H9N3O2S/c17-11-9(12(18)16-13(19)15-11)5-7-6-14-10-4-2-1-3-8(7)10/h1-6,14H,(H2,15,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400723 (CHEMBL2203546) Show SMILES [#6]-[#8]-c1ccc2c(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)cccc2c1 Show InChI InChI=1S/C16H12N2O3S/c1-21-11-5-6-12-9(7-11)3-2-4-10(12)8-13-14(19)17-16(22)18-15(13)20/h2-8H,1H3,(H2,17,18,19,20,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50400732 (CHEMBL2203543) Show SMILES Brc1ccc(-[#6]-[#8]-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C18H13BrN2O3S/c19-13-5-1-12(2-6-13)10-24-14-7-3-11(4-8-14)9-15-16(22)20-18(25)21-17(15)23/h1-9H,10H2,(H2,20,21,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of SIRT5 using ZK(suc)A substrate after 1 hr by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50056295 (CHEMBL3317921) Show SMILES COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cn1)-c1cccnc1 Show InChI InChI=1S/C20H19N3O4/c1-25-16-10-18(27-3)17(26-2)9-15(16)20(24)23-19-7-6-14(12-22-19)13-5-4-8-21-11-13/h4-12H,1-3H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50056313 (CHEMBL3317937) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(C)c1ccc(cc1F)-c1cccnc1 Show InChI InChI=1S/C22H21FN2O4/c1-25(18-8-7-14(10-17(18)23)15-6-5-9-24-13-15)22(26)16-11-19(27-2)21(29-4)20(12-16)28-3/h5-13H,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400730 (CHEMBL2203544) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)ccc1-[#8]-[#6]-c1ccccc1Cl Show InChI InChI=1S/C19H15ClN2O4S/c1-25-16-9-11(8-13-17(23)21-19(27)22-18(13)24)6-7-15(16)26-10-12-4-2-3-5-14(12)20/h2-9H,10H2,1H3,(H2,21,22,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50400730 (CHEMBL2203544) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)ccc1-[#8]-[#6]-c1ccccc1Cl Show InChI InChI=1S/C19H15ClN2O4S/c1-25-16-9-11(8-13-17(23)21-19(27)22-18(13)24)6-7-15(16)26-10-12-4-2-3-5-14(12)20/h2-9H,10H2,1H3,(H2,21,22,23,24,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50056313 (CHEMBL3317937) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(C)c1ccc(cc1F)-c1cccnc1 Show InChI InChI=1S/C22H21FN2O4/c1-25(18-8-7-14(10-17(18)23)15-6-5-9-24-13-15)22(26)16-11-19(27-2)21(29-4)20(12-16)28-3/h5-13H,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50056294 (CHEMBL3317920) Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cn1)-c1cccnc1 Show InChI InChI=1S/C20H19N3O4/c1-25-16-9-15(10-17(26-2)19(16)27-3)20(24)23-18-7-6-14(12-22-18)13-5-4-8-21-11-13/h4-12H,1-3H3,(H,22,23,24)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50346551 (CHEMBL1795371) Show SMILES O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]/c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H12N2O2S/c20-15-14(16(21)19-17(22)18-15)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,(H2,18,19,20,21,22)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50056301 (CHEMBL3317926) Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc(cc1F)-c1cccnc1 Show InChI InChI=1S/C20H17FN2O3/c1-25-18-8-6-14(11-19(18)26-2)20(24)23-17-7-5-13(10-16(17)21)15-4-3-9-22-12-15/h3-12H,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50056305 (CHEMBL3317929) Show SMILES Fc1cc(ccc1NC(=O)c1ccccc1)-c1cccnc1 Show InChI InChI=1S/C18H13FN2O/c19-16-11-14(15-7-4-10-20-12-15)8-9-17(16)21-18(22)13-5-2-1-3-6-13/h1-12H,(H,21,22)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50400733 (CHEMBL2203548) Show SMILES Clc1cccc(-c2ccc(\C=C3/C(=O)NC(=S)N(CC=C)C3=O)o2)c1Cl Show InChI InChI=1S/C18H12Cl2N2O3S/c1-2-8-22-17(24)12(16(23)21-18(22)26)9-10-6-7-14(25-10)11-4-3-5-13(19)15(11)20/h2-7,9H,1,8H2,(H,21,23,26)/b12-9+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50400729 (CHEMBL1715925) Show SMILES O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]\c1ccc(-[#8]-[#6]-c2ccccc2)cc1 Show InChI InChI=1S/C18H14N2O3S/c21-16-15(17(22)20-18(24)19-16)10-12-6-8-14(9-7-12)23-11-13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,20,21,22,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400732 (CHEMBL2203543) Show SMILES Brc1ccc(-[#6]-[#8]-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C18H13BrN2O3S/c19-13-5-1-12(2-6-13)10-24-14-7-3-11(4-8-14)9-15-16(22)20-18(25)21-17(15)23/h1-9H,10H2,(H2,20,21,22,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50400725 (CHEMBL2203540) Show SMILES CN1C(=S)NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O Show InChI InChI=1S/C19H16N2O3S/c1-21-18(23)16(17(22)20-19(21)25)11-13-7-9-15(10-8-13)24-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,22,25)/b16-11+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50400731 (CHEMBL2203547) Show SMILES Clc1cccc(-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)o2)c1Cl Show InChI InChI=1S/C15H8Cl2N2O3S/c16-10-3-1-2-8(12(10)17)11-5-4-7(22-11)6-9-13(20)18-15(23)19-14(9)21/h1-6H,(H2,18,19,20,21,23)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400729 (CHEMBL1715925) Show SMILES O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]\c1ccc(-[#8]-[#6]-c2ccccc2)cc1 Show InChI InChI=1S/C18H14N2O3S/c21-16-15(17(22)20-18(24)19-16)10-12-6-8-14(9-7-12)23-11-13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,20,21,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair

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